2-acetamido-3-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide

Systemtic Name: 2-acetamido-3-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Openeye Name: 2-acetamido-3-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide CAS Name: 2-acetamido-3-methyl-N-[[5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]butanamide IUPAC Name: 2-acetamido-3-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Traditional Name: 2-acetamido-3-methyl-N-[[5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]butyramide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)SC)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)SC)NC(=O)C

InChI

InChI=1S/C23H28N2O3S/c1-14(2)22(25-15(3)26)23(27)24-13-19-12-18-11-17(7-10-21(18)28-19)16-5-8-20(29-4)9-6-16/h5-11,14,19,22H,12-13H2,1-4H3,(H,24,27)(H,25,26)